5-butan-2-yl-2,3-diethylbenzene-1,4-diamine

C14H24N2 — CID 87165746

IUPAC5-butan-2-yl-2,3-diethylbenzene-1,4-diamine
SMILESCCc1c(N)cc(C(C)CC)c(N)c1CC
InChIInChI=1S/C14H24N2/c1-5-9(4)12-8-13(15)10(6-2)11(7-3)14(12)16/h8-9H,5-7,15-16H2,1-4H3
InChIKeyZQNCDDVHPDSDKC-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.49
Rot. Bonds4

About 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine

5-butan-2-yl-2,3-diethylbenzene-1,4-diamine (PubChem CID 87165746) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine.

Molecular Properties

Compound Name5-butan-2-yl-2,3-diethylbenzene-1,4-diamine
PubChem CID87165746
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-butan-2-yl-2,3-diethylbenzene-1,4-diamine
SMILESCCc1c(N)cc(C(C)CC)c(N)c1CC
InChIInChI=1S/C14H24N2/c1-5-9(4)12-8-13(15)10(6-2)11(7-3)14(12)16/h8-9H,5-7,15-16H2,1-4H3
InChIKeyZQNCDDVHPDSDKC-UHFFFAOYSA-N
XLogP3.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine?
The IUPAC name of 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine (CID 87165746) is 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine.
What is the SMILES notation for 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine?
The canonical SMILES for 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine is CCc1c(N)cc(C(C)CC)c(N)c1CC.
What is the InChIKey of 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine?
The InChIKey is ZQNCDDVHPDSDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-9(4)12-8-13(15)10(6-2)11(7-3)14(12)16/h8-9H,5-7,15-16H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine?
5-butan-2-yl-2,3-diethylbenzene-1,4-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,3-diethylbenzene-1,4-diamine is sourced from PubChem (CID 87165746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).